Acetic Acid → HCID 59701456, compound

HRID 663320Notes

Reaction equation

HRID 663320 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[CH3:40][NH2:41].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]2)[CH2:18][CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][c:35]1[C:36]([F:37])([F:38])[F:39].[Cl:42][CH2:43][Cl:44]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][NH:41][CH3:40])[cH:16][cH:17]2)[CH2:18][CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][c:35]1[C:36]([F:37])([F:38])[F:39]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6329MethylamineHCID 6344DichloromethaneHCID 86598290HCID 86598290, compound

Product 1

HCID 59701456HCID 59701456, compound

Sources & evidence

ORD record
ord-3aa408088f8946f0a52aef27cbb7bf65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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